Publicação
Solubility of flavonoids in pure and mixed solvents
| Resumo: | Flavonoids are receiving considerable attention due to their important biological and pharmacological properties [1]. In particular, the systematic study of their solubility in liquid solvents is being presented in the literature [2-8] to support the design of extraction, precipitation or crystallization processes. These compounds have a complex structure with a variety of functional groups that makes them difficult to represent by traditional thermodynamic models. This work is divided in two parts. In the experimental section, new solubility data is presented for hesperetin in several pure and mixed solvents at different temperatures. The shake-flask method is applied, followed by quantitative analysis. Concerning the thermodynamic modelling section, it presents the results obtained using the NRTL-SAC model [9,10], in combination with the reference solvent approach (RSA) [11,12], to describe the solid-liquid equilibrium of several flavonoids in pure and mixed solvents. The NRTL-SAC model represents molecules by conceptual segments: hydrophobic, polar attractive or repulsive and hydrophilic. For each solute, four parameters are calculated using experimental solubility data in a selected set of solvents that should, preferably, cover a wide range of molecular interactions. Additionally, the application of the RSA approach avoids the knowledge of the thermal properties that are often unknown for flavonoids. Finally, the excess solubility approach (ESA) [13-15] with one parameter correlative model is also applied to describe the solubility in mixed solvents. |
|---|---|
| Autores principais: | Ferreira, Olga |
| Outros Autores: | Pinho, Simão |
| Assunto: | Flavonoids Thermodynamics |
| Ano: | 2011 |
| País: | Portugal |
| Tipo de documento: | documento de conferência |
| Tipo de acesso: | acesso aberto |
| Instituição associada: | Instituto Politécnico de Bragança |
| Idioma: | inglês |
| Origem: | Biblioteca Digital do IPB |
| _version_ | 1863850950021611520 |
|---|---|
| author | Ferreira, Olga |
| author2 | Pinho, Simão |
| author2_role | author |
| author_facet | Ferreira, Olga Pinho, Simão |
| author_role | author |
| contributor_name_str_mv | Biblioteca Digital do IPB |
| country_str | PT |
| creators_json_str | [{\"Person.name\":\"Ferreira, Olga\",\"Person.identifier.orcid\":\"0000-0001-8414-3479\"},{\"Person.name\":\"Pinho, Simão\",\"Person.identifier.orcid\":\"0000-0002-9211-857X\"}] |
| datacite.contributors.contributor.contributorName.fl_str_mv | Biblioteca Digital do IPB |
| datacite.creators.creator.creatorName.fl_str_mv | Ferreira, Olga Pinho, Simão |
| datacite.date.Accepted.fl_str_mv | 2011-01-01T00:00:00Z |
| datacite.date.available.fl_str_mv | 2011-09-09T14:10:16Z |
| datacite.date.embargoed.fl_str_mv | 2011-09-09T14:10:16Z |
| datacite.rights.fl_str_mv | http://purl.org/coar/access_right/c_abf2 |
| datacite.subjects.subject.fl_str_mv | Flavonoids Thermodynamics |
| datacite.titles.title.fl_str_mv | Solubility of flavonoids in pure and mixed solvents |
| dc.contributor.none.fl_str_mv | Biblioteca Digital do IPB |
| dc.creator.none.fl_str_mv | Ferreira, Olga Pinho, Simão |
| dc.date.Accepted.fl_str_mv | 2011-01-01T00:00:00Z |
| dc.date.available.fl_str_mv | 2011-09-09T14:10:16Z |
| dc.date.embargoed.fl_str_mv | 2011-09-09T14:10:16Z |
| dc.format.none.fl_str_mv | application/pdf |
| dc.identifier.none.fl_str_mv | http://hdl.handle.net/10198/6121 |
| dc.language.none.fl_str_mv | eng |
| dc.rights.none.fl_str_mv | http://purl.org/coar/access_right/c_abf2 |
| dc.subject.none.fl_str_mv | Flavonoids Thermodynamics |
| dc.title.fl_str_mv | Solubility of flavonoids in pure and mixed solvents |
| dc.type.none.fl_str_mv | http://purl.org/coar/resource_type/c_c94f |
| description | Flavonoids are receiving considerable attention due to their important biological and pharmacological properties [1]. In particular, the systematic study of their solubility in liquid solvents is being presented in the literature [2-8] to support the design of extraction, precipitation or crystallization processes. These compounds have a complex structure with a variety of functional groups that makes them difficult to represent by traditional thermodynamic models. This work is divided in two parts. In the experimental section, new solubility data is presented for hesperetin in several pure and mixed solvents at different temperatures. The shake-flask method is applied, followed by quantitative analysis. Concerning the thermodynamic modelling section, it presents the results obtained using the NRTL-SAC model [9,10], in combination with the reference solvent approach (RSA) [11,12], to describe the solid-liquid equilibrium of several flavonoids in pure and mixed solvents. The NRTL-SAC model represents molecules by conceptual segments: hydrophobic, polar attractive or repulsive and hydrophilic. For each solute, four parameters are calculated using experimental solubility data in a selected set of solvents that should, preferably, cover a wide range of molecular interactions. Additionally, the application of the RSA approach avoids the knowledge of the thermal properties that are often unknown for flavonoids. Finally, the excess solubility approach (ESA) [13-15] with one parameter correlative model is also applied to describe the solubility in mixed solvents. |
| dirty | 0 |
| eu_rights_str_mv | openAccess |
| format | conferenceObject |
| fulltext.url.fl_str_mv | https://bibliotecadigital.ipb.pt/bitstreams/2da3c759-6f3a-406a-b1f6-18a208a574d2/download |
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| identifier.url.fl_str_mv | http://hdl.handle.net/10198/6121 |
| instacron_str | ipb |
| institution | Instituto Politécnico de Bragança |
| instname_str | Instituto Politécnico de Bragança |
| language | eng |
| network_acronym_str | ipb |
| network_name_str | Biblioteca Digital do IPB |
| oai_identifier_str | oai:bibliotecadigital.ipb.pt:10198/6121 |
| organization_str_mv | urn:organizationAcronym:ipb |
| person_str_mv | Ferreira, Olga Ferreira, Olga https://www.ciencia-id.pt/9F1D-C75A-4A54 9F1D-C75A-4A54 http://orcid.org/0000-0001-8414-3479 0000-0001-8414-3479 Pinho, Simão Pinho, Simão https://www.ciencia-id.pt/481D-73AD-8D0F 481D-73AD-8D0F http://orcid.org/0000-0002-9211-857X 0000-0002-9211-857X |
| publishDate | 2011 |
| reponame_str | Biblioteca Digital do IPB |
| repository_id_str | urn:repositoryAcronym:ipb |
| service_str_mv | urn:repositoryAcronym:ipb |
| spelling | engporFlavonoids are receiving considerable attention due to their important biological and pharmacological properties [1]. In particular, the systematic study of their solubility in liquid solvents is being presented in the literature [2-8] to support the design of extraction, precipitation or crystallization processes. These compounds have a complex structure with a variety of functional groups that makes them difficult to represent by traditional thermodynamic models. This work is divided in two parts. In the experimental section, new solubility data is presented for hesperetin in several pure and mixed solvents at different temperatures. The shake-flask method is applied, followed by quantitative analysis. Concerning the thermodynamic modelling section, it presents the results obtained using the NRTL-SAC model [9,10], in combination with the reference solvent approach (RSA) [11,12], to describe the solid-liquid equilibrium of several flavonoids in pure and mixed solvents. The NRTL-SAC model represents molecules by conceptual segments: hydrophobic, polar attractive or repulsive and hydrophilic. For each solute, four parameters are calculated using experimental solubility data in a selected set of solvents that should, preferably, cover a wide range of molecular interactions. Additionally, the application of the RSA approach avoids the knowledge of the thermal properties that are often unknown for flavonoids. Finally, the excess solubility approach (ESA) [13-15] with one parameter correlative model is also applied to describe the solubility in mixed solvents.application/pdfporSolubility of flavonoids in pure and mixed solventsPersonalFerreira, OlgaDSpacehttp://dspace.org/items/59e0c608-0c21-4191-af5e-529d21970399DSpacehttp://dspace.org/items/59e0c608-0c21-4191-af5e-529d21970399FerreiraOlgaCiência IDhttps://www.ciencia-id.pt9F1D-C75A-4A54ORCIDhttp://orcid.org0000-0001-8414-3479Researcher IDhttps://www.researcherid.comM-4567-2013Scopus Author IDhttps://www.scopus.com57203083219PersonalPinho, SimãoDSpacehttp://dspace.org/items/8ef7789a-34f3-4915-a666-4efe26272a30DSpacehttp://dspace.org/items/8ef7789a-34f3-4915-a666-4efe26272a30PinhoSimãoCiência IDhttps://www.ciencia-id.pt481D-73AD-8D0FORCIDhttp://orcid.org0000-0002-9211-857XResearcher IDhttps://www.researcherid.comD-4148-2013Scopus Author IDhttps://www.scopus.com7003570175HostingInstitutionOrganizationalBiblioteca Digital do IPBe-mailmailto:dspace@ipb.ptdspace@ipb.pt2011-09-09T14:10:16Z20112011-01-01T00:00:00ZHandlehttp://hdl.handle.net/10198/6121http://purl.org/coar/access_right/c_abf2open accessFlavonoidsThermodynamics1142878 bytesother research producthttp://purl.org/coar/resource_type/c_c94fconference objecthttp://purl.org/coar/access_right/c_abf2application/pdffulltexthttps://bibliotecadigital.ipb.pt/bitstreams/2da3c759-6f3a-406a-b1f6-18a208a574d2/downloadThermodynamics 2011 Book of Abstracts303305Athens, Greece |
| spellingShingle | Solubility of flavonoids in pure and mixed solvents Ferreira, Olga Flavonoids Thermodynamics |
| subject.fl_str_mv | Flavonoids Thermodynamics |
| title | Solubility of flavonoids in pure and mixed solvents |
| title_full | Solubility of flavonoids in pure and mixed solvents |
| title_fullStr | Solubility of flavonoids in pure and mixed solvents |
| title_full_unstemmed | Solubility of flavonoids in pure and mixed solvents |
| title_short | Solubility of flavonoids in pure and mixed solvents |
| title_sort | Solubility of flavonoids in pure and mixed solvents |
| topic | Flavonoids Thermodynamics |
| topic_facet | Flavonoids Thermodynamics |
| url | http://hdl.handle.net/10198/6121 |
| visible | 1 |